
 CHEMBL110270

 66 69  0  0  0  0  0  0  0  0999 V2000
    2.2618    0.1165   -3.1236 C   0  0  0  0  0
    3.2064    0.0897   -1.9524 C   0  0  0  0  0
    3.4146   -1.0591   -1.1573 C   0  0  0  0  0
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    5.6433   -2.1255    1.2584 H   0  0  0  0  0
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  1  2  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3  9  1  0  0  0
  4  5  2  0  0  0
  4  8  1  0  0  0
  5  6  1  0  0  0
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  6  7  2  0  0  0
  6 35  1  0  0  0
  7 36  1  0  0  0
  8 37  1  0  0  0
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  8 39  1  0  0  0
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  9 10  2  0  0  0
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 29 30  2  0  0  0
 29 65  1  0  0  0
 30 66  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL110270

>  <PubChem CID>
11079978

>  <Formula>
C27H36N2O

>  <Molecular Weight>
404.598000

>  <IUPAC Name>
[4-(4-benzylpiperidin-1-yl)-4-methylpiperidin-1-yl]-(2,6-dimethylphenyl)methanone

>  <XlogP>
5.6

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC1=C(C(=CC=C1)C)C(=O)N2CCC(CC2)(C)N3CCC(CC3)CC4=CC=CC=C4

>  <Isomeric SMILES>
CC1=C(C(=CC=C1)C)C(=O)N2CCC(CC2)(C)N3CCC(CC3)CC4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C27H36N2O/c1-21-8-7-9-22(2)25(21)26(30)28-18-14-27(3,15-19-28)29-16-12-24(13-17-29)20-23-10-5-4-6-11-23/h4-11,24H,12-20H2,1-3H3

>  <InChI Key>
SFQVZFORUREWSK-UHFFFAOYSA-N

